Ethyl heptanoate

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  • Identifiers

    CAS number
    106-30-9

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCC(=O)OCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1099.0
    • Carbowax: 1325.67

  • Odor profile

    Fruity 96.93%
    Green 79.29%
    Sweet 71.5%
    Pineapple 65.47%
    Waxy 64.7%
    Winey 62.62%
    Apple 58.8%
    Banana 55.55%
    Tropical 54.67%
    Fatty 51.86%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.63 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -66.1 °C

    Boiling point

    • 188.00 to 189.00 °C. @ 760.00 mm Hg

    Flash point est.
    66.92 ˚C

    Solubility expt.

    • 0.29 mg/mL
    • Slightly soluble in most fixed oils and in propylene glycol, insoluble in water and glycerol
    • 1ml in 3ml 70% ethanol (in ethanol)

  • Synonyms

    • ETHYL HEPTANOATE
    • 106-30-9
    • Ethyl enanthate
    • Oenanthic ether
    • Ethyl heptoate
    • Ethyl heptylate
    • Ethyl oenanthate
    • Heptanoic acid, ethyl ester
    • Enanthylic ether
    • Aether oenanthicus
    • Ethyl oenanthylate
    • Ethyl n-heptanoate
    • Oleum vitis viniferae
    • HEPTANOIC ACID ETHYL ESTER
    • Ethyl enantate
    • Enanthic acid ethyl ester
    • FEMA No. 2437
    • NSC 8891
    • Ethyl Heptanoate(Heptanoic Acid Ethyl Ester)
    • MFCD00009538
    • Heptanoic acid-ethyl ester
    • DTXSID1040112
    • CHEBI:86618
    • 45R404Y5X8
    • Ethyl heptanoate (natural)
    • CCRIS 1344
    • EINECS 203-382-9
    • BRN 1752311
    • Ethylheptanoate
    • AI3-24251
    • UNII-45R404Y5X8
    • Ethyl heptoic acid
    • Ethyl heptanoic acid
    • Ethyl n-heptanoic acid
    • ETHYL N-HEPTOATE
    • bmse000550
    • SCHEMBL1585
    • Ethyl ester of heptanoic acid
    • ETHYL OENANTHATE [MI]
    • ETHYL HEPTANOATE [FCC]
    • ETHYL HEPTANOATE [FHFI]
    • CHEMBL3184220
    • DTXCID9020112
    • NSC8891
    • AAA10630
    • Tox21_300382
    • Ethyl heptanoate, analytical standard
    • hexane-6-carboxylic acid ethyl ester
    • LMFA07010984
    • AKOS015907945
    • CS-W010893
    • Ethyl heptanoate, >=98%, FCC, FG
    • HY-W010177
    • Ethyl heptanoate, natural, >=98%, FG
    • Ethyl heptanoate, ReagentPlus(R), 99%
    • NCGC00248014-01
    • NCGC00254287-01
    • CAS-106-30-9
    • DB-040684
    • Ethyl heptanoate, purum, >=96.0% (GC)
    • H0031
    • NS00012405
    • E75824
    • Ethyl heptanoate, Vetec(TM) reagent grade, 98%
    • A801415
    • Q419765

  • Applications

    Ethyl heptanoate, also known as ethyl enanthate (CAS 106-30-9), is a fruity ester widely valued for its ability to impart creamy grape-like, rum and apple nuances, making it a key flavour and fragrance ingredient for soft drinks, wines, beers, cocktails, confectionery, chewing gum, ice-cream and yogurts, while in personal-care formulations it is blended into perfumes, body sprays, shampoos and lotions to add a clean mid-note and extend aroma longevity; beyond sensory applications it serves as a medium-evaporation solvent in inks, coatings and alkyd or cellulose lacquers, an intermediate in the synthesis of higher heptanoic esters, plasticizers, lubricant additives and pharmaceutical actives, a model compound in biodiesel trans-esterification studies, and a gas-chromatography reference standard for quantifying aroma compounds in wine, coffee and essential oils, thus occupying an important dual role in both flavour technology and technical chemistry.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9901.11
    methanol 12532.35
    isopropanol 8088.45
    water 0.68
    ethyl acetate 7433.18
    n-propanol 7137.04
    acetone 16622.54
    n-butanol 6529.99
    acetonitrile 9697.31
    DMF 11026.36
    toluene 2743.75
    isobutanol 5556.14
    1,4-dioxane 7389.97
    methyl acetate 5408.59
    THF 10325.18
    2-butanone 8656.32
    n-pentanol 4053.24
    sec-butanol 6471.89
    n-hexane 2128.34
    ethylene glycol 1031.38
    NMP 7650.33
    cyclohexane 1996.37
    DMSO 13419.25
    n-butyl acetate 5628.25
    n-octanol 1476.82
    chloroform 12184.15
    n-propyl acetate 4424.71
    acetic acid 7493.5
    dichloromethane 11775.54
    cyclohexanone 11658.27
    propylene glycol 1620.93
    isopropyl acetate 4112.46
    DMAc 5261.48
    2-ethoxyethanol 3586.71
    isopentanol 5429.34
    n-heptane 535.93
    ethyl formate 3738.19
    1,2-dichloroethane 8395.29
    n-hexanol 3758.57
    2-methoxyethanol 6596.71
    isobutyl acetate 2215.25
    tetrachloromethane 2057.31
    n-pentyl acetate 2755.96
    transcutol 11213.58
    n-heptanol 1206.62
    ethylbenzene 1452.05
    MIBK 3161.51
    2-propoxyethanol 4423.63
    tert-butanol 8248.91
    MTBE 7142.6
    2-butoxyethanol 2039.62
    propionic acid 5500.14
    o-xylene 1373.98
    formic acid 1766.24
    diethyl ether 8576.09
    m-xylene 1591.08
    p-xylene 1835.09
    chlorobenzene 4118.57
    dimethyl carbonate 1117.8
    n-octane 186.13
    formamide 2672.77
    cyclopentanone 9874.59
    2-pentanone 7738.84
    anisole 2404.49
    cyclopentyl methyl ether 6241.09
    gamma-butyrolactone 9135.35
    1-methoxy-2-propanol 4825.52
    pyridine 8288.39
    3-pentanone 4647.09
    furfural 5594.39
    n-dodecane 109.86
    diethylene glycol 2343.42
    diisopropyl ether 1746.88
    tert-amyl alcohol 6265.55
    acetylacetone 5676.06
    n-hexadecane 133.17
    acetophenone 2162.73
    methyl propionate 4319.41
    isopentyl acetate 4044.48
    trichloroethylene 13105.26
    n-nonanol 1170.57
    cyclohexanol 6184.51
    benzyl alcohol 1987.52
    2-ethylhexanol 2143.27
    isooctanol 1001.52
    dipropyl ether 2615.17
    1,2-dichlorobenzene 3046.74
    ethyl lactate 1061.04
    propylene carbonate 3945.56
    n-methylformamide 5521.29
    2-pentanol 4519.98
    n-pentane 1172.81
    1-propoxy-2-propanol 3540.64
    1-methoxy-2-propyl acetate 2918.06
    2-(2-methoxypropoxy) propanol 1731.44
    mesitylene 956.16
    ε-caprolactone 7366.26
    p-cymene 706.51
    epichlorohydrin 8578.66
    1,1,1-trichloroethane 7535.35
    2-aminoethanol 2641.2
    morpholine-4-carbaldehyde 5645.4
    sulfolane 9939.7
    2,2,4-trimethylpentane 388.55
    2-methyltetrahydrofuran 9837.74
    n-hexyl acetate 3576.58
    isooctane 278.36
    2-(2-butoxyethoxy)ethanol 2702.42
    sec-butyl acetate 2477.69
    tert-butyl acetate 3606.65
    decalin 653.72
    glycerin 1710.55
    diglyme 4618.46
    acrylic acid 4057.85
    isopropyl myristate 944.35
    n-butyric acid 8160.67
    acetyl acetate 3059.03
    di(2-ethylhexyl) phthalate 804.11
    ethyl propionate 3241.47
    nitromethane 10930.52
    1,2-diethoxyethane 4434.78
    benzonitrile 3688.35
    trioctyl phosphate 605.71
    1-bromopropane 6358.67
    gamma-valerolactone 9204.01
    n-decanol 759.99
    triethyl phosphate 822.76
    4-methyl-2-pentanol 1779.72
    propionitrile 6279.65
    vinylene carbonate 3484.48
    1,1,2-trichlorotrifluoroethane 5516.39
    DMS 1944.22
    cumene 829.67
    2-octanol 1072.68
    2-hexanone 4820.28
    octyl acetate 1238.4
    limonene 1383.1
    1,2-dimethoxyethane 6960.22
    ethyl orthosilicate 874.7
    tributyl phosphate 931.73
    diacetone alcohol 3329.29
    N,N-dimethylaniline 1450.94
    acrylonitrile 6808.68
    aniline 3634.36
    1,3-propanediol 3528.14
    bromobenzene 4679.0
    dibromomethane 8990.18
    1,1,2,2-tetrachloroethane 10727.3
    2-methyl-cyclohexyl acetate 1689.88
    tetrabutyl urea 1163.93
    diisobutyl methanol 987.21
    2-phenylethanol 1843.33
    styrene 2227.58
    dioctyl adipate 1379.44
    dimethyl sulfate 1972.12
    ethyl butyrate 2603.14
    methyl lactate 1436.67
    butyl lactate 1838.51
    diethyl carbonate 1363.12
    propanediol butyl ether 2256.63
    triethyl orthoformate 1473.06
    p-tert-butyltoluene 664.34
    methyl 4-tert-butylbenzoate 1410.28
    morpholine 10577.04
    tert-butylamine 5479.7
    n-dodecanol 529.26
    dimethoxymethane 4020.86
    ethylene carbonate 3127.13
    cyrene 1340.08
    2-ethoxyethyl acetate 2871.52
    2-ethylhexyl acetate 2924.81
    1,2,4-trichlorobenzene 3266.07
    4-methylpyridine 8308.51
    dibutyl ether 2772.65
    2,6-dimethyl-4-heptanol 987.21
    DEF 7157.2
    dimethyl isosorbide 2629.24
    tetrachloroethylene 7017.75
    eugenol 1441.14
    triacetin 2166.22
    span 80 1820.46
    1,4-butanediol 1349.04
    1,1-dichloroethane 9406.59
    2-methyl-1-pentanol 3450.77
    methyl formate 3342.38
    2-methyl-1-butanol 5076.72
    n-decane 224.86
    butyronitrile 7390.22
    3,7-dimethyl-1-octanol 1522.3
    1-chlorooctane 1137.04
    1-chlorotetradecane 333.75
    n-nonane 253.42
    undecane 149.25
    tert-butylcyclohexane 569.5
    cyclooctane 439.51
    cyclopentanol 6127.41
    tetrahydropyran 11913.94
    tert-amyl methyl ether 4176.9
    2,5,8-trioxanonane 2682.09
    1-hexene 5250.0
    2-isopropoxyethanol 2567.92
    2,2,2-trifluoroethanol 1547.38
    methyl butyrate 5137.91

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.01%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.1%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.15%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.4%